Geometry & MOs

Info

ID:	31860
PubChem CID:	3721333
Reduced:	O3N4C28H32 (1)
Stoich.:	A3B4C28D32 (1)
Weight, g/mol:	583.190083
ΔH_f, kcal/mol:	-17.02
Dipole, Da:	2.77
IP(EA), eV:	-8.56(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[1-amino-3-(4-fluorophenyl)-1-oxopropan-2-yl]carbamoyl]-1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CCCCOC1=C(C=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)NCCCOC)C3=CC=CC=C3)C

DOS

IR

Vibrations